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862

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C14C13sing1.51Å1.50Å
OC13doub1.21Å1.22Å
C13C10sing1.47Å1.50Å
C10C9doub1.40Å1.38ÅAromatic
C10C11sing1.40Å1.38ÅAromatic
C9C8sing1.38Å1.39ÅAromatic
C11C12doub1.38Å1.39ÅAromatic
C8C7doub1.39Å1.39ÅAromatic
C12C7sing1.39Å1.39ÅAromatic
C7N5sing1.40Å1.34Å
N5N6sing1.40Å1.40ÅAromatic
N5C6sing1.36Å1.33ÅAromatic
N6N7doub1.29Å1.41ÅAromatic
C6C5doub1.36Å1.38ÅAromatic
N7C5sing1.34Å1.35ÅAromatic
C5C4sing1.48Å1.49Å
C21C22sing1.53Å1.51Å
C21C20sing1.51Å1.51Å
N3C4doub1.31Å1.35ÅAromatic
N3N2sing1.40Å1.41ÅAromatic
C19N8sing1.47Å1.46Å
C19C15sing1.53Å1.52Å
C4C2sing1.46Å1.47ÅAromatic
N8C18sing1.47Å1.46Å
N8C20sing1.35Å1.33Å
C18C17sing1.53Å1.52Å
C20O1doub1.21Å1.22Å
N2C15sing1.47Å1.48Å
N2C1sing1.36Å1.35ÅAromatic
C2C3doub1.40Å1.48ÅAromatic
C2C1sing1.41Å1.47ÅAromatic
C15C16sing1.53Å1.52Å
N4C3sing1.38Å1.36Å
C16C17sing1.53Å1.52Å
C3Nsing1.33Å1.35ÅAromatic
C1N1doub1.33Å1.35ÅAromatic
NCdoub1.32Å1.35ÅAromatic
N1Csing1.31Å1.35ÅAromatic
CH1sing1.08Å1.08Å
C11H2sing1.08Å1.08Å
C12H3sing1.08Å1.08Å
C14H4sing1.09Å1.10Å
C14H5sing1.09Å1.10Å
C14H6sing1.09Å1.10Å
C15H7sing1.09Å1.10Å
C16H8sing1.09Å1.10Å
C16H9sing1.09Å1.10Å
C17H10sing1.09Å1.10Å
C17H11sing1.09Å1.10Å
C18H12sing1.09Å1.10Å
C18H13sing1.09Å1.10Å
C19H14sing1.09Å1.10Å
C19H15sing1.09Å1.10Å
C21H16sing1.09Å1.10Å
C21H17sing1.09Å1.10Å
C22H18sing1.09Å1.10Å
C22H19sing1.09Å1.10Å
C22H20sing1.09Å1.10Å
C6H21sing1.08Å1.08Å
C8H22sing1.08Å1.08Å
C9H23sing1.08Å1.08Å
N4H24sing0.97Å1.00Å
N4H25sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C14C13O122.3°120.0°
C14C13C10118.1°120.0°
C13C14H4109.5°109.5°
C13C14H5109.5°109.5°
C13C14H6109.5°109.5°
OC13C10119.6°120.1°
C13C10C9120.0°120.1°
C13C10C11120.9°120.1°
C9C10C11119.2°119.8°
C10C9C8119.9°119.9°
C10C9H23120.1°120.0°
C10C11C12119.6°119.9°
C10C11H2120.2°120.1°
C9C8C7122.9°120.2°
C9C8H22118.6°119.9°
C8C9H23120.0°120.1°
C11C12C7123.2°120.1°
C12C11H2120.2°120.0°
C11C12H3118.4°119.9°
C8C7C12115.3°120.2°
C8C7N5122.2°119.9°
C7C8H22118.5°119.9°
C12C7N5122.5°119.9°
C7C12H3118.4°120.0°
C7N5N6122.3°126.8°
C7N5C6122.0°126.8°
N6N5C6115.7°106.5°
N5N6N7103.9°108.3°
N5C6C599.9°106.7°
N5C6H21130.0°126.7°
N6N7C5104.3°109.9°
C6C5N7116.2°108.6°
C6C5C4121.7°125.7°
C5C6H21130.0°126.6°
N7C5C4122.0°125.7°
C5C4N3123.6°126.3°
C5C4C2123.6°126.4°
C22C21C20110.1°109.5°
C22C21H16109.3°109.4°
C22C21H17109.3°109.5°
C21C22H18109.5°109.5°
C21C22H19109.4°109.5°
C21C22H20109.5°109.5°
C21C20N8115.9°120.0°
C21C20O1120.7°120.1°
C20C21H16109.3°109.5°
C20C21H17109.3°109.5°
C4N3N2104.2°109.9°
N3C4C2112.8°107.4°
N3N2C15113.6°125.3°
N3N2C1114.1°109.4°
N8C19C15105.2°108.8°
C19N8C18115.8°118.7°
C19N8C20121.8°120.6°
N8C19H14110.5°109.6°
N8C19H15110.5°109.6°
C19C15N2108.8°109.5°
C19C15C16108.8°109.3°
C19C15H7109.5°109.6°
C15C19H14110.5°109.5°
C15C19H15110.5°109.6°
C4C2C3139.0°135.0°
C4C2C1102.3°106.4°
C18N8C20122.4°120.6°
N8C18C17105.4°108.8°
N8C18H12110.5°109.6°
N8C18H13110.5°109.7°
N8C20O1123.4°120.0°
C18C17C16110.9°109.3°
C18C17H10109.1°109.5°
C18C17H11109.1°109.5°
C17C18H12110.5°109.6°
C17C18H13110.5°109.6°
C15N2C1132.3°125.3°
N2C15C16110.1°109.5°
N2C15H7110.1°109.5°
N2C1C2106.6°106.9°
N2C1N1135.5°134.5°
C3C2C1118.7°118.6°
C2C3N4121.5°120.9°
C2C3N116.8°118.3°
C2C1N1117.9°118.6°
C15C16C17110.0°109.5°
C16C15H7109.5°109.5°
C15C16H8109.3°109.5°
C15C16H9109.3°109.4°
N4C3N121.7°120.9°
C3N4H24109.5°120.0°
C3N4H25109.5°120.0°
C17C16H8109.3°109.4°
C17C16H9109.4°109.5°
C16C17H10109.1°109.5°
C16C17H11109.1°109.5°
C3NC121.7°121.1°
C1N1C120.7°120.7°
NCN1124.2°122.7°
NCH1117.9°118.6°
N1CH1117.9°118.7°
H4C14H5109.5°109.5°
H4C14H6109.4°109.5°
H5C14H6109.5°109.4°
H8C16H9109.5°109.5°
H10C17H11109.5°109.5°
H12C18H13109.5°109.6°
H14C19H15109.5°109.7°
H16C21H17109.5°109.5°
H18C22H19109.5°109.5°
H18C22H20109.5°109.5°
H19C22H20109.5°109.5°
H24N4H25109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C14C13OC10179.9°179.9°
C14C13C10C92.9°180.0°
C14C13C10C11177.1°0.2°
C13C14H4H5120.0°120.0°
C13C14H4H6120.0°120.0°
C13C14H5H6120.0°119.9°
OC13C10C9177.2°0.1°
OC13C10C112.8°179.7°
OC13C14H40.0°0.0°
OC13C14H5120.0°120.1°
OC13C14H6120.0°120.0°
C13C10C9C11180.0°179.8°
C13C10C9C8180.0°179.8°
C13C10C11C12180.0°179.7°
C13C10C11H20.0°0.2°
C10C13C14H4179.9°180.0°
C10C13C14H559.9°60.0°
C10C13C14H660.1°59.9°
C13C10C9H230.0°0.2°
C10C9C8H23180.0°180.0°
C9C10C11C120.0°0.0°
C10C9C8C70.1°0.0°
C9C10C11H2180.0°180.0°
C10C9C8H22179.9°179.9°
C11C10C9C80.0°0.0°
C10C11C12H2180.0°179.9°
C10C11C12C70.1°0.1°
C10C11C12H3179.9°180.0°
C11C10C9H23180.0°180.0°
C9C8C7H22180.0°179.9°
C9C8C7C120.2°0.0°
C9C8C7N5179.9°180.0°
C11C12C7C80.2°0.0°
C11C12C7H3180.0°180.0°
C11C12C7N5179.9°180.0°
C8C7C12N5179.7°180.0°
C8C7N5N6153.0°180.0°
C8C7N5C627.1°0.0°
C8C7C12H3179.8°180.0°
C7C8C9H23179.9°180.0°
C12C7N5N626.6°0.0°
C12C7N5C6153.2°180.0°
C7C12C11H2179.9°180.0°
C12C7C8H22179.8°179.9°
C7N5N6C6179.8°180.0°
C7N5N6N7179.9°179.7°
C7N5C6C5179.8°180.0°
N5C7C12H30.1°0.0°
C7N5C6H210.2°0.0°
N5C7C8H220.1°0.1°
N6N5C6C50.0°0.0°
N5N6N7C50.1°0.5°
N6N5C6H21180.0°180.0°
C6N5N6N70.1°0.3°
N5C6C5H21180.0°180.0°
N5C6C5N70.1°0.2°
N5C6C5C4179.8°180.0°
N6N7C5C60.1°0.4°
N6N7C5C4179.8°179.8°
C6C5N7C4179.7°179.8°
C6C5C4N317.3°27.1°
C6C5C4C2162.2°152.8°
N7C5C4N3162.4°152.6°
N7C5C4C218.2°27.5°
N7C5C6H21179.9°179.7°
C5C4N3C2179.5°180.0°
C5C4N3N2179.8°179.9°
C5C4C2C30.4°0.1°
C5C4C2C1179.8°179.9°
C4C5C6H210.2°0.0°
C22C21C20H16120.1°119.9°
C22C21C20H17120.1°120.0°
C22C21C20N8172.9°180.0°
C22C21C20O17.8°0.0°
C22C21H16H17119.7°120.0°
C21C22H18H19120.0°120.0°
C21C22H18H20120.0°120.0°
C21C22H19H20120.0°120.0°
C21C20N8C1953.5°180.0°
C21C20N8C18125.3°0.1°
C21C20N8O1179.3°179.9°
C20C21H16H17119.7°120.1°
C20C21C22H18180.0°180.0°
C20C21C22H1960.0°60.0°
C20C21C22H2060.0°60.0°
C4N3N2C15179.7°180.0°
C4N3N2C10.2°0.1°
N3C4C2C3179.9°180.0°
N3C4C2C10.3°0.0°
N3N2C15C1954.0°59.7°
N2N3C4C20.3°0.1°
N3N2C15C1179.8°179.9°
N3N2C1C20.0°0.0°
N3N2C15C1665.2°60.1°
N3N2C1N1179.9°180.0°
N3N2C15H7174.0°179.9°
N8C19C15H14119.3°119.8°
N8C19C15H15119.3°119.8°
C19N8C18C20178.8°179.9°
C19N8C18C1763.9°53.6°
C19N8C20O1125.8°0.1°
N8C19C15N2179.9°174.6°
N8C19C15C1659.9°54.7°
N8C19C15H759.8°65.3°
C19N8C18H12176.7°66.2°
C19N8C18H1355.4°173.5°
N8C19H14H15122.0°120.4°
C15C19N8C1866.6°53.7°
C15C19N8C20114.6°126.4°
C19C15N2C16119.1°119.8°
C19C15N2H7120.0°120.2°
C19C15N2C1125.8°120.2°
C19C15C16H7119.7°120.0°
C19C15C16C1758.6°61.4°
C19C15C16H861.5°58.6°
C19C15C16H9178.7°178.6°
C15C19H14H15121.9°120.3°
C4C2C1N20.2°0.0°
C4C2C3C1179.7°180.0°
C4C2C3N40.2°0.0°
C4C2C3N179.8°180.0°
C4C2C1N1179.9°180.0°
N8C18C17H12119.3°119.8°
N8C18C17H13119.3°119.9°
C18N8C20O155.5°180.0°
N8C18C17C1655.9°54.6°
N8C18C17H1064.3°174.6°
N8C18C17H11176.1°65.3°
N8C18H12H13121.9°120.4°
C18N8C19H1452.7°173.4°
C18N8C19H15174.1°66.2°
C20N8C18C17117.2°126.5°
C20N8C18H122.1°113.8°
C20N8C18H13123.4°6.6°
C20N8C19H14126.1°6.7°
C20N8C19H154.7°113.7°
N8C20C21H1652.8°60.1°
N8C20C21H1767.0°60.0°
C18C17C16C1557.0°61.3°
C18C17C16H10120.2°120.0°
C18C17C16H11120.2°120.0°
C18C17C16H863.0°58.7°
C18C17C16H9177.1°178.7°
C18C17H10H11119.4°120.1°
C17C18H12H13121.9°120.3°
O1C20C21H16127.9°120.0°
O1C20C21H17112.3°120.0°
C15N2C1C2179.9°180.0°
N2C15C16H7121.1°120.0°
N2C15C16C17177.8°178.7°
C15N2C1N10.3°0.0°
N2C15C16H857.7°61.4°
N2C15C16H962.1°58.7°
N2C15C19H1460.5°65.6°
N2C15C19H1560.8°54.8°
N2C1C2C3180.0°180.0°
N2C1C2N1179.9°180.0°
C1N2C15C16115.0°120.0°
N2C1N1C179.9°180.0°
C1N2C15H75.8°0.0°
C2C3N4N180.0°180.0°
C3C2C1N10.1°0.0°
C2C3NC0.0°0.0°
C2C3N4H24180.0°18.3°
C2C3N4H2560.0°161.7°
C1C2C3N4180.0°180.0°
C1C2C3N0.0°0.0°
C2C1N1C0.0°0.0°
C15C16C17H8120.1°120.0°
C15C16C17H9120.1°120.0°
C15C16H8H9119.7°120.0°
C15C16C17H1063.2°178.7°
C15C16C17H11177.3°58.6°
C16C15C19H1459.4°174.5°
C16C15C19H15179.3°65.2°
N4C3NC180.0°180.0°
C3N4H24H25120.0°180.0°
C17C16C15H761.1°58.6°
C17C16H8H9119.8°120.0°
C16C17H10H11119.3°120.1°
C16C17C18H12175.2°65.1°
C16C17C18H1363.5°174.5°
C3NCN10.0°0.1°
C3NCH1180.0°180.0°
NC3N4H240.0°161.7°
NC3N4H25120.0°18.3°
C1N1CN0.0°0.1°
C1N1CH1180.0°180.0°
NCN1H1180.0°179.9°
H2C11C12H30.1°0.0°
H4C14H5H6120.0°120.0°
H7C15C16H8178.8°178.6°
H7C15C16H959.0°61.4°
H7C15C19H14179.1°54.5°
H7C15C19H1559.6°174.9°
H8C16C17H10176.8°61.4°
H8C16C17H1157.2°178.6°
H9C16C17H1056.9°58.7°
H9C16C17H1162.6°61.4°
H10C17C18H1255.0°54.8°
H10C17C18H13176.3°65.5°
H11C17C18H1264.6°174.9°
H11C17C18H1356.7°54.6°
H16C21C22H1859.9°60.0°
H16C21C22H1960.1°180.0°
H16C21C22H20180.0°60.0°
H17C21C22H1859.9°60.0°
H17C21C22H19179.9°60.1°
H17C21C22H2060.1°180.0°
H18C22H19H20120.0°120.0°
H22C8C9H230.1°0.1°

222415

PDB entries from 2024-07-10

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